N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide

C24H24F3NO2S — CID 143285654

IUPACN-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide
SMILESCCCN(Cc1ccc(-c2ccc(OC)cc2)cc1)S(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H24F3NO2S/c1-3-16-28(31(29)23-7-5-4-6-22(23)24(25,26)27)17-18-8-10-19(11-9-18)20-12-14-21(30-2)15-13-20/h4-15H,3,16-17H2,1-2H3
InChIKeyCTVQICKOCPFBSJ-UHFFFAOYSA-N
MW447.52 g/mol
LogP6.32
Rot. Bonds8

About N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide

N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide (PubChem CID 143285654) has the molecular formula C24H24F3NO2S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide
PubChem CID143285654
Molecular FormulaC24H24F3NO2S
Molecular Weight447.52 g/mol
Exact Mass447.15
IUPAC NameN-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide
SMILESCCCN(Cc1ccc(-c2ccc(OC)cc2)cc1)S(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H24F3NO2S/c1-3-16-28(31(29)23-7-5-4-6-22(23)24(25,26)27)17-18-8-10-19(11-9-18)20-12-14-21(30-2)15-13-20/h4-15H,3,16-17H2,1-2H3
InChIKeyCTVQICKOCPFBSJ-UHFFFAOYSA-N
XLogP6.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.52
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
4-[benzyl-[(4-methoxyphenyl)methyl]sulfinamoyl]benzoic acid
CID 143767179
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
[propyl(sulfino)amino]methylbenzene
CID 57043220
N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine
CID 170423257
2-(4-methoxyphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6258756
methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]carbamimidothioate
CID 17256049
N-benzyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfonyl-5-(trifluoromethyl)pyridin-2-amine
CID 170677434
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
3-bromo-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfinamide
CID 143659840

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide (CID 143285654) is N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide is CCCN(Cc1ccc(-c2ccc(OC)cc2)cc1)S(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide?
The InChIKey is CTVQICKOCPFBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2S/c1-3-16-28(31(29)23-7-5-4-6-22(23)24(25,26)27)17-18-8-10-19(11-9-18)20-12-14-21(30-2)15-13-20/h4-15H,3,16-17H2,1-2H3.
What are the key properties of N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide?
N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide has a molecular weight of 447.52 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide is sourced from PubChem (CID 143285654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).